UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25712073
25712073
25712079
25712079
40046872
40046872
40046874
40046874
58332425
58332425

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Popular Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one (E)-3-(4-allyloxy-3-methoxy-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.52 12.67 -13.16 0 5 0 44 394.515 7 ↓

Analogs

25712073
25712073
25712079
25712079
40046872
40046872
40046874
40046874
58332425
58332425

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Popular Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one (E)-3-(4-allyloxy-3-methoxy-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.52 12.64 -12.85 0 5 0 44 394.515 7 ↓

Analogs

25462188
25462188
25462183
25462183
25462101
25462101
25462096
25462096
25462024
25462024

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Popular Name: (E)-3-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one (E)-3-(4-methoxyphenyl)-1-[(2S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 11.18 -10.07 0 4 0 34 338.451 4 ↓

Analogs

25462101
25462101
25462096
25462096
25462024
25462024
25462017
25462017
37828000
37828000

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Popular Name: (E)-3-(4-methoxyphenyl)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one (E)-3-(4-methoxyphenyl)-1-[(2R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 11.17 -10.12 0 4 0 34 338.451 4 ↓

Analogs

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Popular Name: N-[4-[(E)-3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-prop-1-enyl]phenyl]acetamide N-[4-[(E)-3-[(2R)-2-(1-methylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 10.54 -17.34 1 5 0 54 365.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(E)-3-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-prop-1-enyl]phenyl]acetamide N-[4-[(E)-3-[(2S)-2-(1-methylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 10.82 -16.91 1 5 0 54 365.477 4 ↓

Analogs

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Popular Name: (E)-3-(3,4-dimethoxyphenyl)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one (E)-3-(3,4-dimethoxyphenyl)-1-[(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 11.09 -12.87 0 5 0 44 368.477 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3,4-dimethoxyphenyl)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one (E)-3-(3,4-dimethoxyphenyl)-1-[(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 11.08 -12.94 0 5 0 44 368.477 5 ↓

Parameters Provided:

ring.id = 147404
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 147404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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